SCHEMBL385093

SCHEMBL385093

COCCOc1ccc(OCCOC)c(C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HSP90AA1 P07900 2/20 0.46
CYP2C19 P33261 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
INPPL1 O15357 1/20 0.44
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MDH1 P40925 1/20 0.42
MDH2 P40926 1/20 0.42
HDAC1 Q13547 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7620453 0.92 MAPT (0.50) MAPTCYP1A2CYP2C9RAB9AALDH1A1
SCHEMBL384675 0.89 MAPT (0.53) MAPTCYP1A2CYP2C9TDP1L3MBTL1
SCHEMBL11328546 0.88 PLA2G2A (0.48) MAPTCYP1A2CYP2C9TDP1L3MBTL1
SCHEMBL5234224 0.83 MAPT (0.50) MAPTTDP1RAB9AALDH1A1HSP90AA1
SCHEMBL267612 0.83 ALDH1A1 (0.56) MAPTCYP1A2CYP2C9RAB9AALDH1A1
SCHEMBL1505120 0.83 S1PR4 (0.52) MAPTALDH1A1HPGDKDM4EKMT2A
SCHEMBL13392322 0.83 ALDH1A1 (0.45) MAPTCYP1A2CYP2C9ALDH1A1HSP90AA1
SCHEMBL26640241 0.83 GAA (0.51) MAPTCYP1A2CYP2C9ALDH1A1HSP90AA1
SCHEMBL12587316 0.82 MAOA (0.49) MAPTCYP1A2CYP2C9L3MBTL1ALDH1A1
SCHEMBL2871827 0.81 F2 (0.45) MAPTCYP1A2CYP2C9RAB9AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
EP-1948617-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP disclosed
WO-2007048065-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK1A1, CSNK2A2 MAPT 1859/4885CYP1A2 2270/4885CYP2C9 2744/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.